Chih-Ying Lin wrote:
Hi
Trjconv => with option "- [no] vel "
what does the bracket "no" mean ?
It indicates a boolean: -novel means do not write velocities, -vel means write
velocities. Therefore, the presence or absence of a prefixed "no" determines
the value.
with the following command,
trjconv -f MD.trr -s MD.tpr -vel -o MD-test.gro
the velocity is not print out on MD-test.gro.
How to print out both the velocity and trajectory at the same time from
.trr file?
Did you actually save velocities in the .trr file (using nstvout > 0 in the .mdp
file)? Does gmxcheck indicate that there are velocities in the .trr file?
-Justin
THank you
Lin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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